scPDB - 3eu5 entry

Protein Data Bank Entry:

PDB ID : 3eu5

Resolution :2.800 Å

Experimental Method : X-ray

Deposition Date : 2008-10-09

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Protein farnesyltransferase subunit beta
ID:	FNTB_RAT
AC:	Q02293
Organism:	Rattus norvegicus
Reign:	Eukaryota
TaxID:	10116
EC Number:	2.5.1.58

Chains:

Chain Name:	Percentage of Residues within binding site
A	23 %
B	77 %

Ligand binding site composition:

B-Factor:	37.027
Number of residues:	41
Including
Standard Amino Acids:	38
Non Standard Amino Acids:	1
Water Molecules:	2
Cofactors:
Metals:	ZN

Cavity properties

Ligandability	Volume (Å3)
0.449	745.875

% Hydrophobic	% Polar
40.27	59.73
According to VolSite

Ligand :

HET Code:	GBO
Formula:	C20H32N3O9P2S
Molecular weight:	552.495 g/mol
DrugBank ID:	-
Buried Surface Area:	49.48 %
Polar Surface area:	236.92 Å2

Number of
H-Bond Acceptors:	10
H-Bond Donors:	3
Rings:	2
Aromatic rings:	0
Anionic atoms:	3
Cationic atoms:	0
Rule of Five Violation:	2
Rotatable Bonds:	15

Mass center Coordinates

X	Y	Z
56.4424	-48.7706	2.66171

Binding mode :

What is Poseview ?

2D View
3D View

Image generated by PoseView

Protein

Binding Site

Ligand

Interaction pattern

hydrophobic (CA)

aromatic (CZ)

hydrogen bond acceptor (O)

hydrogen bond acceptor/donor (OG)

hydrogen bond donor (N)

positively ionized (NZ)

negatively ionized (OD1)

metal (ZN)

Legend:

Represent the protein/ligand binding mode, centered on the ligand
Dashed lines represents hydrogen bonds and metal interactions
Green residue labels for amino acids with hydrophobic contacts (green lines) to the ligand

Image generated using PoseView by BioSolveIT

Ligand	Protein		Interaction
Atom	Atom	Residue	Distance (Å)	Angle (°)	Type
C17	CD2	LEU- 96	4.48	0	Hydrophobic	false
C17	CB	SER- 99	4	0	Hydrophobic	false
S1	CE2	TRP- 102	4.19	0	Hydrophobic	false
C12	CZ2	TRP- 102	3.95	0	Hydrophobic	false
C14	CZ2	TRP- 106	4.25	0	Hydrophobic	false
S1	CH2	TRP- 106	3.94	0	Hydrophobic	false
O4	NZ	LYS- 164	3.04	141.37	H-Bond (Protein Donor)	false
O4	NZ	LYS- 164	3.04	0	Ionic (Protein Cationic)	false
O9	NZ	LYS- 164	3.49	0	Ionic (Protein Cationic)	false
C4	CZ	TYR- 166	4.23	0	Hydrophobic	false
C4	CD2	TYR- 200	4.1	0	Hydrophobic	false
C12	CD	ARG- 202	4.34	0	Hydrophobic	false
O1	NE2	HIS- 248	2.56	160.6	H-Bond (Protein Donor)	false
C4	CE2	TYR- 251	4.1	0	Hydrophobic	false
C5	CE2	TYR- 251	3.44	0	Hydrophobic	false
O1	CZ	ARG- 291	3.56	0	Ionic (Protein Cationic)	false
O1	NH2	ARG- 291	3.28	134.39	H-Bond (Protein Donor)	false
O1	NE	ARG- 291	2.99	148.51	H-Bond (Protein Donor)	false
O8	NZ	LYS- 294	2.7	152.84	H-Bond (Protein Donor)	false
O8	NZ	LYS- 294	2.7	0	Ionic (Protein Cationic)	false
O9	NZ	LYS- 294	3.67	0	Ionic (Protein Cationic)	false
C9	CE2	TRP- 303	3.73	0	Hydrophobic	false
C13	CZ2	TRP- 303	4.46	0	Hydrophobic	false
C15	CE1	TYR- 361	4.01	0	Hydrophobic	false
O2	O	HOH- 459	2.86	162.92	H-Bond (Protein Donor)	false